CID 764192

4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl acetate

Structural Information

Molecular Formula
C14H12O4
SMILES
CC(=O)OC1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2
InChI
InChI=1S/C14H12O4/c1-8(15)17-9-5-6-11-10-3-2-4-12(10)14(16)18-13(11)7-9/h5-7H,2-4H2,1H3
InChIKey
IMGBRUFRLUUMEW-UHFFFAOYSA-N
Compound name
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.07356 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 149.4
[M+Na]+ 267.06278 159.3
[M-H]- 243.06628 156.2
[M+NH4]+ 262.10738 169.8
[M+K]+ 283.03672 157.5
[M+H-H2O]+ 227.07082 144.0
[M+HCOO]- 289.07176 170.6
[M+CH3COO]- 303.08741 192.2
[M+Na-2H]- 265.04823 155.3
[M]+ 244.07301 153.4
[M]- 244.07411 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.